ChemSpider 2D Image | (2E)-4-Sulfanyl-2-butenenitrile | C4H5NS

(2E)-4-Sulfanyl-2-butenenitrile

  • Molecular FormulaC4H5NS
  • Average mass99.154 Da
  • Monoisotopic mass99.014267 Da
  • ChemSpider ID21418365

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2E)-4-Sulfanyl-2-butenenitrile [ACD/IUPAC Name]
(2E)-4-Sulfanyl-2-butènenitrile [French] [ACD/IUPAC Name]
(2E)-4-Sulfanyl-2-butennitril [German] [ACD/IUPAC Name]
2-Butenenitrile, 4-mercapto-, (2E)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 227.0±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.4±3.0 kJ/mol
Flash Point: 91.1±22.6 °C
Index of Refraction: 1.507
Molar Refractivity: 28.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.84
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 5.09
ACD/KOC (pH 5.5): 111.46
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 4.87
ACD/KOC (pH 7.4): 106.72
Polar Surface Area: 63 Å2
Polarizability: 11.3±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 95.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement